SCHEMBL28022708

SCHEMBL28022708

CC(=O)OC(CCC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
GRN P28799 2/20 0.36
SORT1 Q99523 2/20 0.36
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RIPK1 Q13546 1/20 0.32
ALOX15 P16050 1/20 0.32
FOLH1 Q04609 4/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28184409 0.87 ACACB (0.37) GAAGRNSORT1TSHRMEN1
SCHEMBL28023415 0.85 ACACB (0.40) GRNSORT1TSHRMAPTTRPV1
SCHEMBL28023526 0.85 ACACB (0.40) GRNSORT1TSHRMAPTTRPV1
SCHEMBL28022900 0.81 GRN (0.35) GAAGRNSORT1MEN1KMT2A
SCHEMBL28023373 0.79 TSHR (0.37) GAAGRNSORT1TSHRALOX15
SCHEMBL9594717 0.78 SRR (0.40) GAAGRNSORT1MEN1KMT2A
SCHEMBL23779944 0.77 CHRM1 (0.46) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL14595014 0.77 TSHR (0.39) TSHRALOX15FOLH1CHRM2CHRM4
SCHEMBL5859582 0.77 CHRM1 (0.46) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL28897504 0.75 FOLH1 (0.51) ALOX15FOLH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN claimed
CN-104755510-B Ziegler natta catalyst system of internal donor and preparation method thereof is used as comprising 1,2 phenylene diester 印度石油有限公司 2017-11-07 CN disclosed
CN-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN disclosed